* [MAQAO] Info: Detected 192 Lprof instances in gmz12.benchmarkcenter.megware.com.
If this is incorrect, rerun with number-processes-per-node=X
[0] MPI startup(): Intel(R) MPI Library, Version 2021.15 Build 20250213 (id: d233448)
[0] MPI startup(): Copyright (C) 2003-2025 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2025.1.0/mpi/2021.15/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): ===== CPU pinning =====
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 1052730 gmz12.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 1052768 gmz12.benchmarkcenter.megware.com {1}
[0] MPI startup(): 2 1052781 gmz12.benchmarkcenter.megware.com {2}
[0] MPI startup(): 3 1052714 gmz12.benchmarkcenter.megware.com {3}
[0] MPI startup(): 4 1052892 gmz12.benchmarkcenter.megware.com {4}
[0] MPI startup(): 5 1052712 gmz12.benchmarkcenter.megware.com {5}
[0] MPI startup(): 6 1052888 gmz12.benchmarkcenter.megware.com {6}
[0] MPI startup(): 7 1052783 gmz12.benchmarkcenter.megware.com {7}
[0] MPI startup(): 8 1052728 gmz12.benchmarkcenter.megware.com {8}
[0] MPI startup(): 9 1052867 gmz12.benchmarkcenter.megware.com {9}
[0] MPI startup(): 10 1052727 gmz12.benchmarkcenter.megware.com {10}
[0] MPI startup(): 11 1052837 gmz12.benchmarkcenter.megware.com {11}
[0] MPI startup(): 12 1052732 gmz12.benchmarkcenter.megware.com {12}
[0] MPI startup(): 13 1052798 gmz12.benchmarkcenter.megware.com {13}
[0] MPI startup(): 14 1052835 gmz12.benchmarkcenter.megware.com {14}
[0] MPI startup(): 15 1052869 gmz12.benchmarkcenter.megware.com {15}
[0] MPI startup(): 16 1052792 gmz12.benchmarkcenter.megware.com {16}
[0] MPI startup(): 17 1052765 gmz12.benchmarkcenter.megware.com {17}
[0] MPI startup(): 18 1052725 gmz12.benchmarkcenter.megware.com {18}
[0] MPI startup(): 19 1052737 gmz12.benchmarkcenter.megware.com {19}
[0] MPI startup(): 20 1052769 gmz12.benchmarkcenter.megware.com {20}
[0] MPI startup(): 21 1052799 gmz12.benchmarkcenter.megware.com {21}
[0] MPI startup(): 22 1052801 gmz12.benchmarkcenter.megware.com {22}
[0] MPI startup(): 23 1052854 gmz12.benchmarkcenter.megware.com {23}
[0] MPI startup(): 24 1052760 gmz12.benchmarkcenter.megware.com {24}
[0] MPI startup(): 25 1052889 gmz12.benchmarkcenter.megware.com {25}
[0] MPI startup(): 26 1052866 gmz12.benchmarkcenter.megware.com {26}
[0] MPI startup(): 27 1052871 gmz12.benchmarkcenter.megware.com {27}
[0] MPI startup(): 28 1052726 gmz12.benchmarkcenter.megware.com {28}
[0] MPI startup(): 29 1052882 gmz12.benchmarkcenter.megware.com {29}
[0] MPI startup(): 30 1052884 gmz12.benchmarkcenter.megware.com {30}
[0] MPI startup(): 31 1052742 gmz12.benchmarkcenter.megware.com {31}
[0] MPI startup(): 32 1052716 gmz12.benchmarkcenter.megware.com {32}
[0] MPI startup(): 33 1052885 gmz12.benchmarkcenter.megware.com {33}
[0] MPI startup(): 34 1052877 gmz12.benchmarkcenter.megware.com {34}
[0] MPI startup(): 35 1052721 gmz12.benchmarkcenter.megware.com {35}
[0] MPI startup(): 36 1052754 gmz12.benchmarkcenter.megware.com {36}
[0] MPI startup(): 37 1052724 gmz12.benchmarkcenter.megware.com {37}
[0] MPI startup(): 38 1052847 gmz12.benchmarkcenter.megware.com {38}
[0] MPI startup(): 39 1052887 gmz12.benchmarkcenter.megware.com {39}
[0] MPI startup(): 40 1052803 gmz12.benchmarkcenter.megware.com {40}
[0] MPI startup(): 41 1052827 gmz12.benchmarkcenter.megware.com {41}
[0] MPI startup(): 42 1052735 gmz12.benchmarkcenter.megware.com {42}
[0] MPI startup(): 43 1052736 gmz12.benchmarkcenter.megware.com {43}
[0] MPI startup(): 44 1052722 gmz12.benchmarkcenter.megware.com {44}
[0] MPI startup(): 45 1052844 gmz12.benchmarkcenter.megware.com {45}
[0] MPI startup(): 46 1052868 gmz12.benchmarkcenter.megware.com {46}
[0] MPI startup(): 47 1052785 gmz12.benchmarkcenter.megware.com {47}
[0] MPI startup(): 48 1052723 gmz12.benchmarkcenter.megware.com {48}
[0] MPI startup(): 49 1052800 gmz12.benchmarkcenter.megware.com {49}
[0] MPI startup(): 50 1052891 gmz12.benchmarkcenter.megware.com {50}
[0] MPI startup(): 51 1052874 gmz12.benchmarkcenter.megware.com {51}
[0] MPI startup(): 52 1052846 gmz12.benchmarkcenter.megware.com {52}
[0] MPI startup(): 53 1052804 gmz12.benchmarkcenter.megware.com {53}
[0] MPI startup(): 54 1052832 gmz12.benchmarkcenter.megware.com {54}
[0] MPI startup(): 55 1052784 gmz12.benchmarkcenter.megware.com {55}
[0] MPI startup(): 56 1052708 gmz12.benchmarkcenter.megware.com {56}
[0] MPI startup(): 57 1052878 gmz12.benchmarkcenter.megware.com {57}
[0] MPI startup(): 58 1052707 gmz12.benchmarkcenter.megware.com {58}
[0] MPI startup(): 59 1052809 gmz12.benchmarkcenter.megware.com {59}
[0] MPI startup(): 60 1052706 gmz12.benchmarkcenter.megware.com {60}
[0] MPI startup(): 61 1052786 gmz12.benchmarkcenter.megware.com {61}
[0] MPI startup(): 62 1052741 gmz12.benchmarkcenter.megware.com {62}
[0] MPI startup(): 63 1052805 gmz12.benchmarkcenter.megware.com {63}
[0] MPI startup(): 64 1052849 gmz12.benchmarkcenter.megware.com {64}
[0] MPI startup(): 65 1052766 gmz12.benchmarkcenter.megware.com {65}
[0] MPI startup(): 66 1052848 gmz12.benchmarkcenter.megware.com {66}
[0] MPI startup(): 67 1052731 gmz12.benchmarkcenter.megware.com {67}
[0] MPI startup(): 68 1052839 gmz12.benchmarkcenter.megware.com {68}
[0] MPI startup(): 69 1052729 gmz12.benchmarkcenter.megware.com {69}
[0] MPI startup(): 70 1052873 gmz12.benchmarkcenter.megware.com {70}
[0] MPI startup(): 71 1052875 gmz12.benchmarkcenter.megware.com {71}
[0] MPI startup(): 72 1052872 gmz12.benchmarkcenter.megware.com {72}
[0] MPI startup(): 73 1052880 gmz12.benchmarkcenter.megware.com {73}
[0] MPI startup(): 74 1052787 gmz12.benchmarkcenter.megware.com {74}
[0] MPI startup(): 75 1052842 gmz12.benchmarkcenter.megware.com {75}
[0] MPI startup(): 76 1052870 gmz12.benchmarkcenter.megware.com {76}
[0] MPI startup(): 77 1052840 gmz12.benchmarkcenter.megware.com {77}
[0] MPI startup(): 78 1052876 gmz12.benchmarkcenter.megware.com {78}
[0] MPI startup(): 79 1052841 gmz12.benchmarkcenter.megware.com {79}
[0] MPI startup(): 80 1052738 gmz12.benchmarkcenter.megware.com {80}
[0] MPI startup(): 81 1052845 gmz12.benchmarkcenter.megware.com {81}
[0] MPI startup(): 82 1052818 gmz12.benchmarkcenter.megware.com {82}
[0] MPI startup(): 83 1052806 gmz12.benchmarkcenter.megware.com {83}
[0] MPI startup(): 84 1052883 gmz12.benchmarkcenter.megware.com {84}
[0] MPI startup(): 85 1052739 gmz12.benchmarkcenter.megware.com {85}
[0] MPI startup(): 86 1052780 gmz12.benchmarkcenter.megware.com {86}
[0] MPI startup(): 87 1052890 gmz12.benchmarkcenter.megware.com {87}
[0] MPI startup(): 88 1052703 gmz12.benchmarkcenter.megware.com {88}
[0] MPI startup(): 89 1052865 gmz12.benchmarkcenter.megware.com {89}
[0] MPI startup(): 90 1052758 gmz12.benchmarkcenter.megware.com {90}
[0] MPI startup(): 91 1052757 gmz12.benchmarkcenter.megware.com {91}
[0] MPI startup(): 92 1052767 gmz12.benchmarkcenter.megware.com {92}
[0] MPI startup(): 93 1052796 gmz12.benchmarkcenter.megware.com {93}
[0] MPI startup(): 94 1052718 gmz12.benchmarkcenter.megware.com {94}
[0] MPI startup(): 95 1052733 gmz12.benchmarkcenter.megware.com {95}
[0] MPI startup(): 96 1052802 gmz12.benchmarkcenter.megware.com {96}
[0] MPI startup(): 97 1052795 gmz12.benchmarkcenter.megware.com {97}
[0] MPI startup(): 98 1052830 gmz12.benchmarkcenter.megware.com {98}
[0] MPI startup(): 99 1052734 gmz12.benchmarkcenter.megware.com {99}
[0] MPI startup(): 100 1052879 gmz12.benchmarkcenter.megware.com {100}
[0] MPI startup(): 101 1052764 gmz12.benchmarkcenter.megware.com {101}
[0] MPI startup(): 102 1052788 gmz12.benchmarkcenter.megware.com {102}
[0] MPI startup(): 103 1052763 gmz12.benchmarkcenter.megware.com {103}
[0] MPI startup(): 104 1052829 gmz12.benchmarkcenter.megware.com {104}
[0] MPI startup(): 105 1052814 gmz12.benchmarkcenter.megware.com {105}
[0] MPI startup(): 106 1052825 gmz12.benchmarkcenter.megware.com {106}
[0] MPI startup(): 107 1052811 gmz12.benchmarkcenter.megware.com {107}
[0] MPI startup(): 108 1052858 gmz12.benchmarkcenter.megware.com {108}
[0] MPI startup(): 109 1052836 gmz12.benchmarkcenter.megware.com {109}
[0] MPI startup(): 110 1052762 gmz12.benchmarkcenter.megware.com {110}
[0] MPI startup(): 111 1052886 gmz12.benchmarkcenter.megware.com {111}
[0] MPI startup(): 112 1052860 gmz12.benchmarkcenter.megware.com {112}
[0] MPI startup(): 113 1052834 gmz12.benchmarkcenter.megware.com {113}
[0] MPI startup(): 114 1052797 gmz12.benchmarkcenter.megware.com {114}
[0] MPI startup(): 115 1052833 gmz12.benchmarkcenter.megware.com {115}
[0] MPI startup(): 116 1052755 gmz12.benchmarkcenter.megware.com {116}
[0] MPI startup(): 117 1052761 gmz12.benchmarkcenter.megware.com {117}
[0] MPI startup(): 118 1052794 gmz12.benchmarkcenter.megware.com {118}
[0] MPI startup(): 119 1052793 gmz12.benchmarkcenter.megware.com {119}
[0] MPI startup(): 120 1052777 gmz12.benchmarkcenter.megware.com {120}
[0] MPI startup(): 121 1052831 gmz12.benchmarkcenter.megware.com {121}
[0] MPI startup(): 122 1052759 gmz12.benchmarkcenter.megware.com {122}
[0] MPI startup(): 123 1052881 gmz12.benchmarkcenter.megware.com {123}
[0] MPI startup(): 124 1052824 gmz12.benchmarkcenter.megware.com {124}
[0] MPI startup(): 125 1052821 gmz12.benchmarkcenter.megware.com {125}
[0] MPI startup(): 126 1052807 gmz12.benchmarkcenter.megware.com {126}
[0] MPI startup(): 127 1052853 gmz12.benchmarkcenter.megware.com {127}
[0] MPI startup(): 128 1052838 gmz12.benchmarkcenter.megware.com {128}
[0] MPI startup(): 129 1052720 gmz12.benchmarkcenter.megware.com {129}
[0] MPI startup(): 130 1052862 gmz12.benchmarkcenter.megware.com {130}
[0] MPI startup(): 131 1052775 gmz12.benchmarkcenter.megware.com {131}
[0] MPI startup(): 132 1052740 gmz12.benchmarkcenter.megware.com {132}
[0] MPI startup(): 133 1052715 gmz12.benchmarkcenter.megware.com {133}
[0] MPI startup(): 134 1052771 gmz12.benchmarkcenter.megware.com {134}
[0] MPI startup(): 135 1052843 gmz12.benchmarkcenter.megware.com {135}
[0] MPI startup(): 136 1052819 gmz12.benchmarkcenter.megware.com {136}
[0] MPI startup(): 137 1052752 gmz12.benchmarkcenter.megware.com {137}
[0] MPI startup(): 138 1052861 gmz12.benchmarkcenter.megware.com {138}
[0] MPI startup(): 139 1052857 gmz12.benchmarkcenter.megware.com {139}
[0] MPI startup(): 140 1052743 gmz12.benchmarkcenter.megware.com {140}
[0] MPI startup(): 141 1052815 gmz12.benchmarkcenter.megware.com {141}
[0] MPI startup(): 142 1052856 gmz12.benchmarkcenter.megware.com {142}
[0] MPI startup(): 143 1052772 gmz12.benchmarkcenter.megware.com {143}
[0] MPI startup(): 144 1052855 gmz12.benchmarkcenter.megware.com {144}
[0] MPI startup(): 145 1052778 gmz12.benchmarkcenter.megware.com {145}
[0] MPI startup(): 146 1052744 gmz12.benchmarkcenter.megware.com {146}
[0] MPI startup(): 147 1052863 gmz12.benchmarkcenter.megware.com {147}
[0] MPI startup(): 148 1052711 gmz12.benchmarkcenter.megware.com {148}
[0] MPI startup(): 149 1052713 gmz12.benchmarkcenter.megware.com {149}
[0] MPI startup(): 150 1052749 gmz12.benchmarkcenter.megware.com {150}
[0] MPI startup(): 151 1052817 gmz12.benchmarkcenter.megware.com {151}
[0] MPI startup(): 152 1052812 gmz12.benchmarkcenter.megware.com {152}
[0] MPI startup(): 153 1052813 gmz12.benchmarkcenter.megware.com {153}
[0] MPI startup(): 154 1052851 gmz12.benchmarkcenter.megware.com {154}
[0] MPI startup(): 155 1052789 gmz12.benchmarkcenter.megware.com {155}
[0] MPI startup(): 156 1052864 gmz12.benchmarkcenter.megware.com {156}
[0] MPI startup(): 157 1052816 gmz12.benchmarkcenter.megware.com {157}
[0] MPI startup(): 158 1052719 gmz12.benchmarkcenter.megware.com {158}
[0] MPI startup(): 159 1052753 gmz12.benchmarkcenter.megware.com {159}
[0] MPI startup(): 160 1052826 gmz12.benchmarkcenter.megware.com {160}
[0] MPI startup(): 161 1052810 gmz12.benchmarkcenter.megware.com {161}
[0] MPI startup(): 162 1052751 gmz12.benchmarkcenter.megware.com {162}
[0] MPI startup(): 163 1052820 gmz12.benchmarkcenter.megware.com {163}
[0] MPI startup(): 164 1052770 gmz12.benchmarkcenter.megware.com {164}
[0] MPI startup(): 165 1052774 gmz12.benchmarkcenter.megware.com {165}
[0] MPI startup(): 166 1052717 gmz12.benchmarkcenter.megware.com {166}
[0] MPI startup(): 167 1052776 gmz12.benchmarkcenter.megware.com {167}
[0] MPI startup(): 168 1052747 gmz12.benchmarkcenter.megware.com {168}
[0] MPI startup(): 169 1052893 gmz12.benchmarkcenter.megware.com {169}
[0] MPI startup(): 170 1052709 gmz12.benchmarkcenter.megware.com {170}
[0] MPI startup(): 171 1052850 gmz12.benchmarkcenter.megware.com {171}
[0] MPI startup(): 172 1052894 gmz12.benchmarkcenter.megware.com {172}
[0] MPI startup(): 173 1052791 gmz12.benchmarkcenter.megware.com {173}
[0] MPI startup(): 174 1052756 gmz12.benchmarkcenter.megware.com {174}
[0] MPI startup(): 175 1052710 gmz12.benchmarkcenter.megware.com {175}
[0] MPI startup(): 176 1052745 gmz12.benchmarkcenter.megware.com {176}
[0] MPI startup(): 177 1052779 gmz12.benchmarkcenter.megware.com {177}
[0] MPI startup(): 178 1052746 gmz12.benchmarkcenter.megware.com {178}
[0] MPI startup(): 179 1052823 gmz12.benchmarkcenter.megware.com {179}
[0] MPI startup(): 180 1052822 gmz12.benchmarkcenter.megware.com {180}
[0] MPI startup(): 181 1052705 gmz12.benchmarkcenter.megware.com {181}
[0] MPI startup(): 182 1052808 gmz12.benchmarkcenter.megware.com {182}
[0] MPI startup(): 183 1052704 gmz12.benchmarkcenter.megware.com {183}
[0] MPI startup(): 184 1052828 gmz12.benchmarkcenter.megware.com {184}
[0] MPI startup(): 185 1052859 gmz12.benchmarkcenter.megware.com {185}
[0] MPI startup(): 186 1052748 gmz12.benchmarkcenter.megware.com {186}
[0] MPI startup(): 187 1052852 gmz12.benchmarkcenter.megware.com {187}
[0] MPI startup(): 188 1052782 gmz12.benchmarkcenter.megware.com {188}
[0] MPI startup(): 189 1052773 gmz12.benchmarkcenter.megware.com {189}
[0] MPI startup(): 190 1052790 gmz12.benchmarkcenter.megware.com {190}
[0] MPI startup(): 191 1052750 gmz12.benchmarkcenter.megware.com {191}
OMP: pid 1052730 tid 1052730 thread 0 bound to OS proc set {0}
OMP: pid 1052835 tid 1052835 thread 0 bound to OS proc set {14}
OMP: pid 1052888 tid 1052888 thread 0 bound to OS proc set {6}
OMP: pid 1052728 tid 1052728 thread 0 bound to OS proc set {8}
LAMMPS (22 Jul 2025)
OMP: pid 1052837 tid 1052837 thread 0 bound to OS proc set {11}
OMP: pid 1052798 tid 1052798 thread 0 bound to OS proc set {13}
OMP: pid 1052854 tid 1052854 thread 0 bound to OS proc set {23}
OMP: pid 1052712 tid 1052712 thread 0 bound to OS proc set {5}
OMP: pid 1052737 tid 1052737 thread 0 bound to OS proc set {19}
OMP: pid 1052889 tid 1052889 thread 0 bound to OS proc set {25}
OMP: pid 1052874 tid 1052874 thread 0 bound to OS proc set {51}
OMP: pid 1052816 tid 1052816 thread 0 bound to OS proc set {157}
OMP: pid 1052742 tid 1052742 thread 0 bound to OS proc set {31}
OMP: pid 1052872 tid 1052872 thread 0 bound to OS proc set {72}
OMP: pid 1052714 tid 1052714 thread 0 bound to OS proc set {3}
OMP: pid 1052727 tid 1052727 thread 0 bound to OS proc set {10}
OMP: pid 1052892 tid 1052892 thread 0 bound to OS proc set {4}
OMP: pid 1052856 tid 1052856 thread 0 bound to OS proc set {142}
OMP: pid 1052792 tid 1052792 thread 0 bound to OS proc set {16}
OMP: pid 1052760 tid 1052760 thread 0 bound to OS proc set {24}
OMP: pid 1052754 tid 1052754 thread 0 bound to OS proc set {36}
OMP: pid 1052704 tid 1052704 thread 0 bound to OS proc set {183}
OMP: pid 1052765 tid 1052765 thread 0 bound to OS proc set {17}
OMP: pid 1052769 tid 1052769 thread 0 bound to OS proc set {20}
OMP: pid 1052866 tid 1052866 thread 0 bound to OS proc set {26}
OMP: pid 1052799 tid 1052799 thread 0 bound to OS proc set {21}
OMP: pid 1052726 tid 1052726 thread 0 bound to OS proc set {28}
OMP: pid 1052827 tid 1052827 thread 0 bound to OS proc set {41}
OMP: pid 1052741 tid 1052741 thread 0 bound to OS proc set {62}
OMP: pid 1052709 tid 1052709 thread 0 bound to OS proc set {170}
OMP: pid 1052834 tid 1052834 thread 0 bound to OS proc set {113}
OMP: pid 1052869 tid 1052869 thread 0 bound to OS proc set {15}
OMP: pid 1052746 tid 1052746 thread 0 bound to OS proc set {178}
OMP: pid 1052790 tid 1052790 thread 0 bound to OS proc set {190}
OMP: pid 1052833 tid 1052833 thread 0 bound to OS proc set {115}
OMP: pid 1052877 tid 1052877 thread 0 bound to OS proc set {34}
OMP: pid 1052886 tid 1052886 thread 0 bound to OS proc set {111}
OMP: pid 1052821 tid 1052821 thread 0 bound to OS proc set {125}
OMP: pid 1052894 tid 1052894 thread 0 bound to OS proc set {172}
OMP: pid 1052809 tid 1052809 thread 0 bound to OS proc set {59}
OMP: pid 1052713 tid 1052713 thread 0 bound to OS proc set {149}
OMP: pid 1052844 tid 1052844 thread 0 bound to OS proc set {45}
OMP: pid 1052887 tid 1052887 thread 0 bound to OS proc set {39}
OMP: pid 1052876 tid 1052876 thread 0 bound to OS proc set {78}
OMP: pid 1052804 tid 1052804 thread 0 bound to OS proc set {53}
OMP: pid 1052784 tid 1052784 thread 0 bound to OS proc set {55}
OMP: pid 1052882 tid 1052882 thread 0 bound to OS proc set {29}
OMP: pid 1052870 tid 1052870 thread 0 bound to OS proc set {76}
OMP: pid 1052722 tid 1052722 thread 0 bound to OS proc set {44}
OMP: pid 1052751 tid 1052751 thread 0 bound to OS proc set {162}
OMP: pid 1052761 tid 1052761 thread 0 bound to OS proc set {117}
OMP: pid 1052805 tid 1052805 thread 0 bound to OS proc set {63}
OMP: pid 1052841 tid 1052841 thread 0 bound to OS proc set {79}
OMP: pid 1052747 tid 1052747 thread 0 bound to OS proc set {168}
OMP: pid 1052867 tid 1052867 thread 0 bound to OS proc set {9}
OMP: pid 1052733 tid 1052733 thread 0 bound to OS proc set {95}
OMP: pid 1052891 tid 1052891 thread 0 bound to OS proc set {50}
OMP: pid 1052788 tid 1052788 thread 0 bound to OS proc set {102}
OMP: pid 1052881 tid 1052881 thread 0 bound to OS proc set {123}
OMP: pid 1052719 tid 1052719 thread 0 bound to OS proc set {158}
OMP: pid 1052849 tid 1052849 thread 0 bound to OS proc set {64}
OMP: pid 1052832 tid 1052832 thread 0 bound to OS proc set {54}
OMP: pid 1052807 tid 1052807 thread 0 bound to OS proc set {126}
OMP: pid 1052705 tid 1052705 thread 0 bound to OS proc set {181}
OMP: pid 1052715 tid 1052715 thread 0 bound to OS proc set {133}
OMP: pid 1052716 tid 1052716 thread 0 bound to OS proc set {32}
OMP: pid 1052859 tid 1052859 thread 0 bound to OS proc set {185}
OMP: pid 1052717 tid 1052717 thread 0 bound to OS proc set {166}
OMP: pid 1052763 tid 1052763 thread 0 bound to OS proc set {103}
OMP: pid 1052775 tid 1052775 thread 0 bound to OS proc set {131}
OMP: pid 1052883 tid 1052883 thread 0 bound to OS proc set {84}
OMP: pid 1052738 tid 1052738 thread 0 bound to OS proc set {80}
OMP: pid 1052743 tid 1052743 thread 0 bound to OS proc set {140}
OMP: pid 1052770 tid 1052770 thread 0 bound to OS proc set {164}
OMP: pid 1052814 tid 1052814 thread 0 bound to OS proc set {105}
OMP: pid 1052759 tid 1052759 thread 0 bound to OS proc set {122}
OMP: pid 1052706 tid 1052706 thread 0 bound to OS proc set {60}
OMP: pid 1052731 tid 1052731 thread 0 bound to OS proc set {67}
OMP: pid 1052880 tid 1052880 thread 0 bound to OS proc set {73}
OMP: pid 1052857 tid 1052857 thread 0 bound to OS proc set {139}
OMP: pid 1052793 tid 1052793 thread 0 bound to OS proc set {119}
OMP: pid 1052817 tid 1052817 thread 0 bound to OS proc set {151}
OMP: pid 1052855 tid 1052855 thread 0 bound to OS proc set {144}
OMP: pid 1052748 tid 1052748 thread 0 bound to OS proc set {186}
OMP: pid 1052863 tid 1052863 thread 0 bound to OS proc set {147}
OMP: pid 1052791 tid 1052791 thread 0 bound to OS proc set {173}
OMP: pid 1052826 tid 1052826 thread 0 bound to OS proc set {160}
OMP: pid 1052878 tid 1052878 thread 0 bound to OS proc set {57}
OMP: pid 1052842 tid 1052842 thread 0 bound to OS proc set {75}
OMP: pid 1052796 tid 1052796 thread 0 bound to OS proc set {93}
OMP: pid 1052725 tid 1052725 thread 0 bound to OS proc set {18}
OMP: pid 1052749 tid 1052749 thread 0 bound to OS proc set {150}
OMP: pid 1052890 tid 1052890 thread 0 bound to OS proc set {87}
OMP: pid 1052724 tid 1052724 thread 0 bound to OS proc set {37}
OMP: pid 1052845 tid 1052845 thread 0 bound to OS proc set {81}
OMP: pid 1052778 tid 1052778 thread 0 bound to OS proc set {145}
OMP: pid 1052847 tid 1052847 thread 0 bound to OS proc set {38}
OMP: pid 1052735 tid 1052735 thread 0 bound to OS proc set {42}
OMP: pid 1052783 tid 1052783 thread 0 bound to OS proc set {7}
OMP: pid 1052723 tid 1052723 thread 0 bound to OS proc set {48}
OMP: pid 1052808 tid 1052808 thread 0 bound to OS proc set {182}
OMP: pid 1052830 tid 1052830 thread 0 bound to OS proc set {98}
OMP: pid 1052801 tid 1052801 thread 0 bound to OS proc set {22}
OMP: pid 1052840 tid 1052840 thread 0 bound to OS proc set {77}
OMP: pid 1052868 tid 1052868 thread 0 bound to OS proc set {46}
OMP: pid 1052875 tid 1052875 thread 0 bound to OS proc set {71}
OMP: pid 1052861 tid 1052861 thread 0 bound to OS proc set {138}
OMP: pid 1052703 tid 1052703 thread 0 bound to OS proc set {88}
OMP: pid 1052718 tid 1052718 thread 0 bound to OS proc set {94}
OMP: pid 1052884 tid 1052884 thread 0 bound to OS proc set {30}
OMP: pid 1052771 tid 1052771 thread 0 bound to OS proc set {134}
OMP: pid 1052707 tid 1052707 thread 0 bound to OS proc set {58}
OMP: pid 1052757 tid 1052757 thread 0 bound to OS proc set {91}
OMP: pid 1052820 tid 1052820 thread 0 bound to OS proc set {163}
OMP: pid 1052862 tid 1052862 thread 0 bound to OS proc set {130}
OMP: pid 1052818 tid 1052818 thread 0 bound to OS proc set {82}
OMP: pid 1052739 tid 1052739 thread 0 bound to OS proc set {85}
OMP: pid 1052721 tid 1052721 thread 0 bound to OS proc set {35}
OMP: pid 1052879 tid 1052879 thread 0 bound to OS proc set {100}
OMP: pid 1052762 tid 1052762 thread 0 bound to OS proc set {110}
OMP: pid 1052729 tid 1052729 thread 0 bound to OS proc set {69}
OMP: pid 1052781 tid 1052781 thread 0 bound to OS proc set {2}
OMP: pid 1052864 tid 1052864 thread 0 bound to OS proc set {156}
OMP: pid 1052852 tid 1052852 thread 0 bound to OS proc set {187}
OMP: pid 1052750 tid 1052750 thread 0 bound to OS proc set {191}
OMP: pid 1052885 tid 1052885 thread 0 bound to OS proc set {33}
OMP: pid 1052787 tid 1052787 thread 0 bound to OS proc set {74}
OMP: pid 1052780 tid 1052780 thread 0 bound to OS proc set {86}
OMP: pid 1052829 tid 1052829 thread 0 bound to OS proc set {104}
OMP: pid 1052819 tid 1052819 thread 0 bound to OS proc set {136}
OMP: pid 1052779 tid 1052779 thread 0 bound to OS proc set {177}
OMP: pid 1052822 tid 1052822 thread 0 bound to OS proc set {180}
OMP: pid 1052824 tid 1052824 thread 0 bound to OS proc set {124}
OMP: pid 1052767 tid 1052767 thread 0 bound to OS proc set {92}
OMP: pid 1052813 tid 1052813 thread 0 bound to OS proc set {153}
OMP: pid 1052745 tid 1052745 thread 0 bound to OS proc set {176}
OMP: pid 1052851 tid 1052851 thread 0 bound to OS proc set {154}
OMP: pid 1052860 tid 1052860 thread 0 bound to OS proc set {112}
OMP: pid 1052836 tid 1052836 thread 0 bound to OS proc set {109}
OMP: pid 1052782 tid 1052782 thread 0 bound to OS proc set {188}
OMP: pid 1052708 tid 1052708 thread 0 bound to OS proc set {56}
OMP: pid 1052736 tid 1052736 thread 0 bound to OS proc set {43}
OMP: pid 1052831 tid 1052831 thread 0 bound to OS proc set {121}
OMP: pid 1052785 tid 1052785 thread 0 bound to OS proc set {47}
OMP: pid 1052795 tid 1052795 thread 0 bound to OS proc set {97}
OMP: pid 1052850 tid 1052850 thread 0 bound to OS proc set {171}
OMP: pid 1052740 tid 1052740 thread 0 bound to OS proc set {132}
OMP: pid 1052871 tid 1052871 thread 0 bound to OS proc set {27}
OMP: pid 1052825 tid 1052825 thread 0 bound to OS proc set {106}
OMP: pid 1052776 tid 1052776 thread 0 bound to OS proc set {167}
OMP: pid 1052803 tid 1052803 thread 0 bound to OS proc set {40}
OMP: pid 1052846 tid 1052846 thread 0 bound to OS proc set {52}
OMP: pid 1052789 tid 1052789 thread 0 bound to OS proc set {155}
OMP: pid 1052823 tid 1052823 thread 0 bound to OS proc set {179}
OMP: pid 1052758 tid 1052758 thread 0 bound to OS proc set {90}
OMP: pid 1052772 tid 1052772 thread 0 bound to OS proc set {143}
OMP: pid 1052744 tid 1052744 thread 0 bound to OS proc set {146}
OMP: pid 1052732 tid 1052732 thread 0 bound to OS proc set {12}
OMP: pid 1052810 tid 1052810 thread 0 bound to OS proc set {161}
OMP: pid 1052858 tid 1052858 thread 0 bound to OS proc set {108}
OMP: pid 1052720 tid 1052720 thread 0 bound to OS proc set {129}
OMP: pid 1052766 tid 1052766 thread 0 bound to OS proc set {65}
OMP: pid 1052843 tid 1052843 thread 0 bound to OS proc set {135}
OMP: pid 1052773 tid 1052773 thread 0 bound to OS proc set {189}
OMP: pid 1052873 tid 1052873 thread 0 bound to OS proc set {70}
OMP: pid 1052806 tid 1052806 thread 0 bound to OS proc set {83}
OMP: pid 1052815 tid 1052815 thread 0 bound to OS proc set {141}
OMP: pid 1052786 tid 1052786 thread 0 bound to OS proc set {61}
OMP: pid 1052774 tid 1052774 thread 0 bound to OS proc set {165}
OMP: pid 1052752 tid 1052752 thread 0 bound to OS proc set {137}
OMP: pid 1052828 tid 1052828 thread 0 bound to OS proc set {184}
OMP: pid 1052756 tid 1052756 thread 0 bound to OS proc set {174}
OMP: pid 1052753 tid 1052753 thread 0 bound to OS proc set {159}
OMP: pid 1052848 tid 1052848 thread 0 bound to OS proc set {66}
OMP: pid 1052711 tid 1052711 thread 0 bound to OS proc set {148}
OMP: pid 1052893 tid 1052893 thread 0 bound to OS proc set {169}
OMP: pid 1052768 tid 1052768 thread 0 bound to OS proc set {1}
OMP: pid 1052839 tid 1052839 thread 0 bound to OS proc set {68}
OMP: pid 1052755 tid 1052755 thread 0 bound to OS proc set {116}
OMP: pid 1052838 tid 1052838 thread 0 bound to OS proc set {128}
OMP: pid 1052710 tid 1052710 thread 0 bound to OS proc set {175}
OMP: pid 1052811 tid 1052811 thread 0 bound to OS proc set {107}
OMP: pid 1052764 tid 1052764 thread 0 bound to OS proc set {101}
OMP: pid 1052777 tid 1052777 thread 0 bound to OS proc set {120}
OMP: pid 1052734 tid 1052734 thread 0 bound to OS proc set {99}
OMP: pid 1052865 tid 1052865 thread 0 bound to OS proc set {89}
OMP: pid 1052797 tid 1052797 thread 0 bound to OS proc set {114}
OMP: pid 1052794 tid 1052794 thread 0 bound to OS proc set {118}
OMP: pid 1052853 tid 1052853 thread 0 bound to OS proc set {127}
OMP: pid 1052802 tid 1052802 thread 0 bound to OS proc set {96}
OMP: pid 1052812 tid 1052812 thread 0 bound to OS proc set {152}
OMP: pid 1052800 tid 1052800 thread 0 bound to OS proc set {49}
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.615 3.615 3.615
Created orthogonal box = (0 0 0) to (1156.8 578.4 578.4)
8 by 4 by 6 MPI processor grid
Created 32768000 atoms
using lattice units in orthogonal box = (0 0 0) to (1156.8 578.4 578.4)
create_atoms CPU = 0.018 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 68.4 | 69.61 | 70.89 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 1.42112 on 192 procs for 10 steps with 32768000 atoms
Performance: 3.040 ns/day, 7.895 hours/ns, 7.037 timesteps/s, 230.579 Matom-step/s
98.7% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.0404 | 1.0613 | 1.0878 | 0.9 | 74.68
Neigh | 0.17528 | 0.18018 | 0.1865 | 0.6 | 12.68
Comm | 0.052119 | 0.068473 | 0.091359 | 3.3 | 4.82
Output | 0.0016085 | 0.0018801 | 0.0024505 | 0.4 | 0.13
Modify | 0.057615 | 0.076 | 0.086993 | 2.1 | 5.35
Other | | 0.03332 | | | 2.34
Nlocal: 170667 ave 171308 max 169512 min
Histogram: 64 0 0 0 0 0 0 0 13 115
Nghost: 55997.1 ave 56418 max 55762 min
Histogram: 27 61 32 8 0 4 15 27 13 5
Neighs: 6.42419e+06 ave 6.47799e+06 max 6.37962e+06 min
Histogram: 64 0 1 56 7 0 0 0 2 62
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 68.74 | 69.77 | 70.91 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 96.2835 on 192 procs for 500 steps with 32768000 atoms
Performance: 2.243 ns/day, 10.698 hours/ns, 5.193 timesteps/s, 170.164 Matom-step/s
99.0% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 70.204 | 71.415 | 72.979 | 7.3 | 74.17
Neigh | 15.767 | 16.123 | 16.446 | 4.2 | 16.75
Comm | 2.8613 | 4.1916 | 5.5141 | 27.9 | 4.35
Output | 0.017734 | 0.020371 | 0.027582 | 1.4 | 0.02
Modify | 2.4936 | 3.1101 | 3.6579 | 16.7 | 3.23
Other | | 1.423 | | | 1.48
Nlocal: 170667 ave 171683 max 169136 min
Histogram: 6 31 24 3 0 0 10 43 59 16
Nghost: 55896.7 ave 56658 max 55273 min
Histogram: 5 9 23 43 36 39 24 7 4 2
Neighs: 6.44217e+06 ave 6.50586e+06 max 6.38063e+06 min
Histogram: 8 36 22 19 34 9 0 10 26 28
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:38
[MAQAO] Info: 191/192 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/icx_2/oneview_results_1758147690/tools/lprof_npsu_run_0
To display your profiling results:
#######################################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
#######################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/icx_2/oneview_results_1758147690/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/icx_2/oneview_results_1758147690/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/icx_2/oneview_results_1758147690/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/icx_2/oneview_results_1758147690/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/icx_2/oneview_results_1758147690/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/icx_2/oneview_results_1758147690/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/icx_2/oneview_results_1758147690/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/icx_2/oneview_results_1758147690/tools/lprof_npsu_run_0 #
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